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N-Cyclopentyl-2,2',3,3',4',6,6'-hepta-o-acetyl-D-lactosylamine

View entire compound with spectra: 1 NMR

N-Cyclopentyl-2,2',3,3',4',6,6'-hepta-o-acetyl-D-lactosylamine
SpectraBase Compound ID Ln2MMAZ9kOX
InChI InChI=1S/C31H45NO17/c1-14(33)40-12-22-25(26(43-17(4)36)28(45-19(6)38)30(47-22)32-21-10-8-9-11-21)49-31-29(46-20(7)39)27(44-18(5)37)24(42-16(3)35)23(48-31)13-41-15(2)34/h21-32H,8-13H2,1-7H3
InChIKey CJMVZTHXQKQWML-UHFFFAOYSA-N
Mol Weight 703.7 g/mol
Molecular Formula C31H45NO17
Exact Mass 703.268749 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DovqE6bgjJU
Name N-Cyclopentyl-2,2',3,3',4',6,6'-hepta-o-acetyl-D-lactosylamine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 703.268748976 u
Formula C31H45NO17
InChI InChI=1S/C31H45NO17/c1-14(33)40-12-22-25(26(43-17(4)36)28(45-19(6)38)30(47-22)32-21-10-8-9-11-21)49-31-29(46-20(7)39)27(44-18(5)37)24(42-16(3)35)23(48-31)13-41-15(2)34/h21-32H,8-13H2,1-7H3
InChIKey CJMVZTHXQKQWML-UHFFFAOYSA-N
Molecular Weight 703.691 g/mol
SMILES C1(OC2C(OC(C(C2OC(=O)C)OC(=O)C)NC2CCCC2)COC(=O)C)C(C(C(C(O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C